Information card for entry 4328531

Structure parameters

• Formula: C19 H27 Cl O5 Ru S4
• Calculated formula: C19 H27 Cl O5 Ru S4
• SMILES: [Ru]1([S](C)(=O)C)([S](=O)(C)C)([S](=O)(C)C)(Cl)[O]=C(c2c(O1)cccc2)/C=C/c1sccc1
• Title of publication: Synthesis and Characterization of Ru(II)-DMSO-Cl-Chalcone Complexes: DNA Binding, Nuclease, and Topoisomerase II Inhibitory Activity
• Authors of publication: Ruchi Gaur; Lallan Mishra
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 3059 - 3070
• a: 8.2466 ± 0.0004 Å
• b: 12.3466 ± 0.0007 Å
• c: 12.9838 ± 0.0007 Å
• α: 106.59 ± 0.005°
• β: 101.295 ± 0.004°
• γ: 95.912 ± 0.004°
• Cell volume: 1224.52 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0476
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.1019
• Goodness-of-fit parameter for all reflections included in the refinement: 0.783
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No